HRID2145966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

3 次

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID10881167

未命名化合物

HCID13424175

Methyl (pyrrolidin-3-yl)acetate

C7H13NO2

PRODUCTS

生成物

结构：COC(=O)CC1CCN(CCOCCN2c3ccccc3CCc3ccccc32)C1

HCID67710487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-797ca1ba5753429bb9ec44293a77295a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:22]([OH:23])(=[O:24])[CH3:25].[C:36](=[O:37])([O-:38])[O-:39].[C:44]([OH:45])(=[O:46])[CH:47]([CH:48]([C:49]([OH:50])=[O:51])[OH:52])[OH:53].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:54][C:55]([CH2:56][CH:57]([CH3:58])[CH3:59])=[O:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:73][CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][CH3:79].[I-:43].[K+:40].[K+:41].[K+:42].[NH:26]1[CH2:27][CH:28]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[CH2:29][CH2:30]1.[OH2:67].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20][Cl:21]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20][N:26]1[CH2:27][CH:28]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[CH2:29][CH2:30]1